4-hydroxy-3,5-diphenyl-1,2,4-triazole

C14H11N3O — CID 14382453

IUPAC4-hydroxy-3,5-diphenyl-1,2,4-triazole
SMILESOn1c(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C14H11N3O/c18-17-13(11-7-3-1-4-8-11)15-16-14(17)12-9-5-2-6-10-12/h1-10,18H
InChIKeyAQQPCYDGNCHNTC-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.85
Rot. Bonds2

About 4-hydroxy-3,5-diphenyl-1,2,4-triazole

4-hydroxy-3,5-diphenyl-1,2,4-triazole (PubChem CID 14382453) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-hydroxy-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-hydroxy-3,5-diphenyl-1,2,4-triazole
PubChem CID14382453
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-hydroxy-3,5-diphenyl-1,2,4-triazole
SMILESOn1c(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C14H11N3O/c18-17-13(11-7-3-1-4-8-11)15-16-14(17)12-9-5-2-6-10-12/h1-10,18H
InChIKeyAQQPCYDGNCHNTC-UHFFFAOYSA-N
XLogP2.85
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-2-phenylbenzimidazole
CID 606555
5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene
CID 71482704
3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147107
tris(3-methyl-4,5-diphenyl-1,2,4-triazole);ruthenium(3+)
CID 158954413
4-cyclobutyl-3,5-diphenyl-1,2,4-triazole
CID 10612456
2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide
CID 155384841
3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine
CID 869419
4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
CID 12778947
4-amino-5-phenyl-1,2,4-triazole-3-carbothialdehyde
CID 174611280
benzene;tris(1,1'-biphenyl)
CID 162155747
5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 614138
3-[4-[[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-diphenylmethyl]phenyl]-4,5-diphenyl-1,2,4-triazole
CID 59096363

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 4-hydroxy-3,5-diphenyl-1,2,4-triazole (CID 14382453) is 4-hydroxy-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 4-hydroxy-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 4-hydroxy-3,5-diphenyl-1,2,4-triazole is On1c(-c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of 4-hydroxy-3,5-diphenyl-1,2,4-triazole?
The InChIKey is AQQPCYDGNCHNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-17-13(11-7-3-1-4-8-11)15-16-14(17)12-9-5-2-6-10-12/h1-10,18H.
What are the key properties of 4-hydroxy-3,5-diphenyl-1,2,4-triazole?
4-hydroxy-3,5-diphenyl-1,2,4-triazole has a molecular weight of 237.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 14382453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).